git: f9e5eb0630dc - main - science/dirac: New port: Program for atomic & molecular relativistic all-electron calculations

From: Yuri Victorovich <yuri_at_FreeBSD.org>
Date: Thu, 11 Aug 2022 07:47:54 UTC
The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=f9e5eb0630dcd845be7da1e45e6e28967ea8a97a

commit f9e5eb0630dcd845be7da1e45e6e28967ea8a97a
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-08-11 07:34:08 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-08-11 07:46:54 +0000

    science/dirac: New port: Program for atomic & molecular relativistic all-electron calculations
---
 science/Makefile                                   |   1 +
 science/dirac/Makefile                             |  41 ++
 science/dirac/distinfo                             |   3 +
 science/dirac/files/patch-cmake_custom_core.cmake  |  11 +
 science/dirac/files/patch-src_gp_execinfo__bsd.h   |   8 +
 science/dirac/files/patch-src_gp_memory__sys__if.c |  11 +
 .../dirac/files/patch-src_gp_stacktraverse__bsd.h  |   8 +
 science/dirac/pkg-descr                            |   5 +
 science/dirac/pkg-plist                            | 746 +++++++++++++++++++++
 9 files changed, 834 insertions(+)

diff --git a/science/Makefile b/science/Makefile
index 04cb2440123e..38f51c5d1a97 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -68,6 +68,7 @@
     SUBDIR += devisor
     SUBDIR += dftbplus
     SUBDIR += dftd4
+    SUBDIR += dirac
     SUBDIR += dkh
     SUBDIR += dlib-cpp
     SUBDIR += drawxtl
diff --git a/science/dirac/Makefile b/science/dirac/Makefile
new file mode 100644
index 000000000000..627ddca9e8d2
--- /dev/null
+++ b/science/dirac/Makefile
@@ -0,0 +1,41 @@
+PORTNAME=	dirac
+DISTVERSION=	22.0
+CATEGORIES=	science # chemistry
+MASTER_SITES=	https://zenodo.org/record/6010450/files/
+PKGNAMESUFFIX=	-quantum-chemistry-software
+DISTNAME=	${PORTNAME:tu}-${DISTVERSION}-Source
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	Program for atomic & molecular relativistic all-electron calculations
+
+LICENSE=	LGPL21
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+BUILD_DEPENDS=	gmake:devel/gmake
+LIB_DEPENDS=	libblas.so:math/blas \
+		libhdf5.so:science/hdf5 \
+		liblapack.so:math/lapack
+
+USES=		cmake:noninja,testing fortran python shebangfix
+
+#USE_GITLAB=	yes
+#GL_COMMIT=	37b755410d9fdcd9b5e7bba6e43ceb7d5c7b9dae
+
+SHEBANG_FILES=	pam.in \
+		utils/process_schema.py \
+		utils/dirac_data.py
+
+CMAKE_OFF=	ENABLE_EXATENSOR \
+		ENABLE_PCMSOLVER # PCMSolver integration is broken, see https://gitlab.com/dirac/dirac/-/issues/33 and https://gitlab.com/dirac/dirac/-/issues/34
+CMAKE_ARGS=	-DMKL_FLAG=off
+
+CFLAGS+=	-DSYS_LINUX # see https://gitlab.com/dirac/dirac/-/issues/32
+CXXFLAGS+=	-DSYS_LINUX
+FFLAGS+=	-DSYS_LINUX
+LDFLAGS+=	-llapack -lblas
+
+BINARY_ALIAS=	make=${GMAKE} \
+		python=${PYTHON_CMD} \
+		python3=${PYTHON_CMD}
+
+.include <bsd.port.mk>
diff --git a/science/dirac/distinfo b/science/dirac/distinfo
new file mode 100644
index 000000000000..bd56ce8628a2
--- /dev/null
+++ b/science/dirac/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1660200127
+SHA256 (DIRAC-22.0-Source.tar.gz) = c8c011b5bc2ca36a2ef76b2deb911638321655fcae1d1b146cacfa1b5f783711
+SIZE (DIRAC-22.0-Source.tar.gz) = 98408177
diff --git a/science/dirac/files/patch-cmake_custom_core.cmake b/science/dirac/files/patch-cmake_custom_core.cmake
new file mode 100644
index 000000000000..7b259aebac2a
--- /dev/null
+++ b/science/dirac/files/patch-cmake_custom_core.cmake
@@ -0,0 +1,11 @@
+--- cmake/custom/core.cmake.orig	2022-08-10 16:56:44 UTC
++++ cmake/custom/core.cmake
+@@ -101,7 +101,7 @@ foreach(
+     if(${CMAKE_SYSTEM_NAME} STREQUAL "AIX")
+         SET_TARGET_PROPERTIES(${_executable} PROPERTIES LINK_FLAGS "-Wl,-bbigtoc")
+     endif()
+-    if(${CMAKE_SYSTEM_NAME} STREQUAL "Linux")
++    if(${CMAKE_SYSTEM_NAME} STREQUAL "Linux" OR ${CMAKE_SYSTEM_NAME} STREQUAL "FreeBSD")
+         SET_TARGET_PROPERTIES(${_executable} PROPERTIES LINK_FLAGS "-Wl,-E")
+     endif()
+ 
diff --git a/science/dirac/files/patch-src_gp_execinfo__bsd.h b/science/dirac/files/patch-src_gp_execinfo__bsd.h
new file mode 100644
index 000000000000..baab5f17306c
--- /dev/null
+++ b/science/dirac/files/patch-src_gp_execinfo__bsd.h
@@ -0,0 +1,8 @@
+--- src/gp/execinfo_bsd.h.orig	2022-08-10 06:56:53 UTC
++++ src/gp/execinfo_bsd.h
+@@ -46,3 +46,5 @@ void    backtrace_symbols_fd(void *const *, int, int);
+ #ifdef __cplusplus
+ }
+ #endif
++
++#endif
diff --git a/science/dirac/files/patch-src_gp_memory__sys__if.c b/science/dirac/files/patch-src_gp_memory__sys__if.c
new file mode 100644
index 000000000000..0b0cfff917a7
--- /dev/null
+++ b/science/dirac/files/patch-src_gp_memory__sys__if.c
@@ -0,0 +1,11 @@
+--- src/gp/memory_sys_if.c.orig	2022-08-10 06:55:50 UTC
++++ src/gp/memory_sys_if.c
+@@ -37,6 +37,8 @@
+ #include <errno.h>
+ #include <string.h>
+ 
++#include <sys/types.h>
++
+ #include "trace.h"
+ 
+ #define FORTRAN_STRx_TO_INT8(a) (int64_t)strtol(a,NULL,16)
diff --git a/science/dirac/files/patch-src_gp_stacktraverse__bsd.h b/science/dirac/files/patch-src_gp_stacktraverse__bsd.h
new file mode 100644
index 000000000000..d7f8752519a0
--- /dev/null
+++ b/science/dirac/files/patch-src_gp_stacktraverse__bsd.h
@@ -0,0 +1,8 @@
+--- src/gp/stacktraverse_bsd.h.orig	2022-08-10 06:57:14 UTC
++++ src/gp/stacktraverse_bsd.h
+@@ -36,3 +36,5 @@
+ 
+ void *getreturnaddr(int);
+ void *getframeaddr(int);
++
++#endif
diff --git a/science/dirac/pkg-descr b/science/dirac/pkg-descr
new file mode 100644
index 000000000000..1cc7814dd248
--- /dev/null
+++ b/science/dirac/pkg-descr
@@ -0,0 +1,5 @@
+The DIRAC program computes molecular properties using relativistic quantum
+chemical methods. It is named after P.A.M. Dirac, the father of relativistic
+electronic structure theory.
+
+WWW: http://diracprogram.org/doku.php
diff --git a/science/dirac/pkg-plist b/science/dirac/pkg-plist
new file mode 100644
index 000000000000..cbe0fb9d5b62
--- /dev/null
+++ b/science/dirac/pkg-plist
@@ -0,0 +1,746 @@
+bin/pam-dirac
+%%DATADIR%%/DIRACschema.txt
+%%DATADIR%%/GIT_HASH
+%%DATADIR%%/VERSION
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.accpvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.ccpvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.cvtz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.cvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Po.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Po.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Po.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Po.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Po.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Po.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Po.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Po.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Po.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Po.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Po.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Po.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/README
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sb.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sb.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sb.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sb.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sb.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sb.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sb.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sb.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sb.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sb.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sb.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sb.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Se.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Se.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Se.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Se.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Se.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Se.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Se.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Se.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Se.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Se.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Se.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Se.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sn.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sn.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sn.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sn.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sn.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sn.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sn.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sn.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sn.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sn.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sn.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Sn.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Te.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Te.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Te.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Te.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Te.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Te.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Te.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Te.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Te.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Te.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Te.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Te.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Tl.acvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Tl.acvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Tl.arvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Tl.arvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Tl.avdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Tl.avdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Tl.cvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Tl.cvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Tl.rvdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Tl.rvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Tl.vdz.bas
+%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Tl.vdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/PtH/H_31.bas
+%%DATADIR%%/basis/MOLFDIR/PtH/PT_CI.bas
+%%DATADIR%%/basis/MOLFDIR/PtH/README
+%%DATADIR%%/basis/MOLFDIR/README
+%%DATADIR%%/basis/MOLFDIR/accpvdz/At.apvdz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvdz/At.apvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvdz/Br.sp-apvdz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvdz/Br.sp-apvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvdz/Cl.accpvdz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvdz/Cl.accpvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvdz/F.p-accpvdz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvdz/F.p-accpvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvdz/H.accpvdz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvdz/H.accpvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvdz/I.sp-apvdz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvdz/I.sp-apvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvdz/README
+%%DATADIR%%/basis/MOLFDIR/accpvtz/Al.accpvtz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/Al.accpvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/At.apvtz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/At.apvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/Br.sp-apvtz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/Br.sp-apvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/Cl.accpvtz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/Cl.accpvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/F.accpvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/F.p-accpvtz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/H.accpvtz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/H.accpvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/I.apvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/I.sp-apvtz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/O.p-accpvtz.bas
+%%DATADIR%%/basis/MOLFDIR/accpvtz/README
+%%DATADIR%%/basis/MOLFDIR/accpvtz/Si.accpvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/At.pvdz.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/At.pvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/Br.sp-pvdz.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/Br.sp-pvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/Cl.ccpvdz.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/Cl.ccpvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/F.p-ccpvdz.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/F.p-ccpvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/H.ccpvdz.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/I.sp-pvdz.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/I.sp-pvdz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/O.ccpvdz.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvdz/README
+%%DATADIR%%/basis/MOLFDIR/ccpvtz/At.pvtz.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvtz/At.pvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvtz/Br.sp-pvtz.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvtz/Br.sp-pvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvtz/Cl.ccpvtz.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvtz/F.ccpvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvtz/F.p-ccpvtz.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvtz/I.pvtz.nr.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvtz/I.sp-pvtz.bas
+%%DATADIR%%/basis/MOLFDIR/ccpvtz/README
+%%DATADIR%%/basis/RPF-4Z
+%%DATADIR%%/basis/SCRPOT
+%%DATADIR%%/basis/SCRPOT_2016
+%%DATADIR%%/basis/SCRPOT_large
+%%DATADIR%%/basis/SCRPOT_small
+%%DATADIR%%/basis/Vaara-NMRbas
+%%DATADIR%%/basis/aug-RPF-4Z
+%%DATADIR%%/basis/aug-XeRn.dcv3z
+%%DATADIR%%/basis/aug-XeRn.dcv4z
+%%DATADIR%%/basis/deprecated/DIRAC04/Dyall.pvdz.unc
+%%DATADIR%%/basis/deprecated/DIRAC04/Dyall.pvqz.unc
+%%DATADIR%%/basis/deprecated/DIRAC04/Dyall.pvtz.unc
+%%DATADIR%%/basis/deprecated/DIRAC08/dyall.acv2z
+%%DATADIR%%/basis/deprecated/DIRAC08/dyall.acv3z
+%%DATADIR%%/basis/deprecated/DIRAC08/dyall.acv4z
+%%DATADIR%%/basis/deprecated/DIRAC08/dyall.av2z
+%%DATADIR%%/basis/deprecated/DIRAC08/dyall.av3z
+%%DATADIR%%/basis/deprecated/DIRAC08/dyall.av4z
+%%DATADIR%%/basis/deprecated/DIRAC08/dyall.cv2z
+%%DATADIR%%/basis/deprecated/DIRAC08/dyall.cv3z
+%%DATADIR%%/basis/deprecated/DIRAC08/dyall.cv4z
+%%DATADIR%%/basis/deprecated/DIRAC08/dyall.v2z
+%%DATADIR%%/basis/deprecated/DIRAC08/dyall.v3z
+%%DATADIR%%/basis/deprecated/DIRAC08/dyall.v4z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall.acv2z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall.acv3z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall.acv4z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall.av2z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall.av3z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall.av4z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall.cv2z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall.cv3z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall.cv4z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall.v2z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall.v3z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall.v4z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall_1s2.2z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall_1s2.3z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall_1s2.4z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall_1s2.5z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall_1s2.6z
+%%DATADIR%%/basis/deprecated/DIRAC10-12/dyall_1s2.7z
+%%DATADIR%%/basis/deprecated/README
+%%DATADIR%%/basis/dyall.2zp
+%%DATADIR%%/basis/dyall.3zp
+%%DATADIR%%/basis/dyall.4zp
+%%DATADIR%%/basis/dyall.aae2z
+%%DATADIR%%/basis/dyall.aae3z
+%%DATADIR%%/basis/dyall.aae4z
+%%DATADIR%%/basis/dyall.acv2z
+%%DATADIR%%/basis/dyall.acv3z
+%%DATADIR%%/basis/dyall.acv4z
+%%DATADIR%%/basis/dyall.ae2z
+%%DATADIR%%/basis/dyall.ae3z
+%%DATADIR%%/basis/dyall.ae4z
+%%DATADIR%%/basis/dyall.av2z
+%%DATADIR%%/basis/dyall.av3z
+%%DATADIR%%/basis/dyall.av4z
+%%DATADIR%%/basis/dyall.cv2z
+%%DATADIR%%/basis/dyall.cv3z
+%%DATADIR%%/basis/dyall.cv4z
+%%DATADIR%%/basis/dyall.v2z
+%%DATADIR%%/basis/dyall.v3z
+%%DATADIR%%/basis/dyall.v4z
+%%DATADIR%%/basis/dyall_1s2.2z
+%%DATADIR%%/basis/dyall_1s2.3z
+%%DATADIR%%/basis/dyall_1s2.4z
+%%DATADIR%%/basis/dyall_1s2.5z
+%%DATADIR%%/basis/dyall_1s2.6z
+%%DATADIR%%/basis/dyall_1s2.7z
+%%DATADIR%%/basis/reference_edited/4d_dz_archive
+%%DATADIR%%/basis/reference_edited/4d_qz_archive
+%%DATADIR%%/basis/reference_edited/4d_tz_archive
+%%DATADIR%%/basis/reference_edited/4f_dz_archive
+%%DATADIR%%/basis/reference_edited/4f_qz_archive
+%%DATADIR%%/basis/reference_edited/4f_tz_archive
+%%DATADIR%%/basis/reference_edited/4p_dz_archive
+%%DATADIR%%/basis/reference_edited/4p_qz_archive
+%%DATADIR%%/basis/reference_edited/4p_tz_archive
+%%DATADIR%%/basis/reference_edited/4s_dz_archive
+%%DATADIR%%/basis/reference_edited/4s_qz_archive
+%%DATADIR%%/basis/reference_edited/4s_tz_archive
+%%DATADIR%%/basis/reference_edited/5d_dz_archive
+%%DATADIR%%/basis/reference_edited/5d_qz_archive
+%%DATADIR%%/basis/reference_edited/5d_tz_archive
+%%DATADIR%%/basis/reference_edited/5f_dz_archive
+%%DATADIR%%/basis/reference_edited/5f_qz_archive
+%%DATADIR%%/basis/reference_edited/5f_tz_archive
+%%DATADIR%%/basis/reference_edited/5p_dz_archive
+%%DATADIR%%/basis/reference_edited/5p_qz_archive
+%%DATADIR%%/basis/reference_edited/5p_tz_archive
+%%DATADIR%%/basis/reference_edited/5s_dz_archive
+%%DATADIR%%/basis/reference_edited/5s_qz_archive
+%%DATADIR%%/basis/reference_edited/5s_tz_archive
+%%DATADIR%%/basis/reference_edited/6d_dz_archive
+%%DATADIR%%/basis/reference_edited/6d_qz_archive
+%%DATADIR%%/basis/reference_edited/6d_tz_archive
+%%DATADIR%%/basis/reference_edited/6p_dz_archive
+%%DATADIR%%/basis/reference_edited/6p_qz_archive
+%%DATADIR%%/basis/reference_edited/6p_tz_archive
+%%DATADIR%%/basis/reference_edited/6s_dz_archive
+%%DATADIR%%/basis/reference_edited/6s_qz_archive
+%%DATADIR%%/basis/reference_edited/6s_tz_archive
+%%DATADIR%%/basis/reference_edited/7p_dz_archive
+%%DATADIR%%/basis/reference_edited/7p_qz_archive
+%%DATADIR%%/basis/reference_edited/7p_tz_archive
+%%DATADIR%%/basis/reference_edited/7s_dz_archive
+%%DATADIR%%/basis/reference_edited/7s_qz_archive
+%%DATADIR%%/basis/reference_edited/7s_tz_archive
+%%DATADIR%%/basis/reference_edited/Dyall.dz
+%%DATADIR%%/basis/reference_edited/Dyall.dz.diffuse
+%%DATADIR%%/basis/reference_edited/Dyall.qz
+%%DATADIR%%/basis/reference_edited/Dyall.tz
+%%DATADIR%%/basis/reference_edited/Dyall.tz.diffuse
+%%DATADIR%%/basis/reference_edited/Faegri.dz
+%%DATADIR%%/basis/reference_edited/README
+%%DATADIR%%/basis/reference_edited/dyall.acv2z
+%%DATADIR%%/basis/reference_edited/dyall.acv3z
+%%DATADIR%%/basis/reference_edited/dyall.acv4z
+%%DATADIR%%/basis/reference_edited/dyall.av2z
+%%DATADIR%%/basis/reference_edited/dyall.av3z
+%%DATADIR%%/basis/reference_edited/dyall.av4z
+%%DATADIR%%/basis/reference_edited/dyall.cv2z
+%%DATADIR%%/basis/reference_edited/dyall.cv3z
+%%DATADIR%%/basis/reference_edited/dyall.cv4z
+%%DATADIR%%/basis/reference_edited/dyall.v2z
+%%DATADIR%%/basis/reference_edited/dyall.v3z
+%%DATADIR%%/basis/reference_edited/dyall.v4z
+%%DATADIR%%/basis/reference_unedited/4d_dz_archive
+%%DATADIR%%/basis/reference_unedited/4d_qz_archive
+%%DATADIR%%/basis/reference_unedited/4d_tz_archive
+%%DATADIR%%/basis/reference_unedited/4f_dz_archive
+%%DATADIR%%/basis/reference_unedited/4f_qz_archive
+%%DATADIR%%/basis/reference_unedited/4f_tz_archive
+%%DATADIR%%/basis/reference_unedited/4p_dz_archive
+%%DATADIR%%/basis/reference_unedited/4p_qz_archive
+%%DATADIR%%/basis/reference_unedited/4p_tz_archive
+%%DATADIR%%/basis/reference_unedited/4s_dz_archive
+%%DATADIR%%/basis/reference_unedited/4s_qz_archive
+%%DATADIR%%/basis/reference_unedited/4s_tz_archive
+%%DATADIR%%/basis/reference_unedited/5d_dz_archive
+%%DATADIR%%/basis/reference_unedited/5d_qz_archive
+%%DATADIR%%/basis/reference_unedited/5d_tz_archive
+%%DATADIR%%/basis/reference_unedited/5f_dz_archive
+%%DATADIR%%/basis/reference_unedited/5f_qz_archive
+%%DATADIR%%/basis/reference_unedited/5f_tz_archive
+%%DATADIR%%/basis/reference_unedited/5p_dz_archive
+%%DATADIR%%/basis/reference_unedited/5p_qz_archive
+%%DATADIR%%/basis/reference_unedited/5p_tz_archive
+%%DATADIR%%/basis/reference_unedited/5s_dz_archive
+%%DATADIR%%/basis/reference_unedited/5s_qz_archive
+%%DATADIR%%/basis/reference_unedited/5s_tz_archive
+%%DATADIR%%/basis/reference_unedited/6d_dz_archive
+%%DATADIR%%/basis/reference_unedited/6d_qz_archive
+%%DATADIR%%/basis/reference_unedited/6d_tz_archive
+%%DATADIR%%/basis/reference_unedited/6p_dz_archive
+%%DATADIR%%/basis/reference_unedited/6p_qz_archive
+%%DATADIR%%/basis/reference_unedited/6p_tz_archive
+%%DATADIR%%/basis/reference_unedited/6s_dz_archive
+%%DATADIR%%/basis/reference_unedited/6s_qz_archive
+%%DATADIR%%/basis/reference_unedited/6s_tz_archive
+%%DATADIR%%/basis/reference_unedited/7p_dz_archive
+%%DATADIR%%/basis/reference_unedited/7p_qz_archive
+%%DATADIR%%/basis/reference_unedited/7p_tz_archive
+%%DATADIR%%/basis/reference_unedited/7s_dz_archive
+%%DATADIR%%/basis/reference_unedited/7s_qz_archive
+%%DATADIR%%/basis/reference_unedited/7s_tz_archive
+%%DATADIR%%/basis/reference_unedited/Dyall.dz
+%%DATADIR%%/basis/reference_unedited/Dyall.tz
+%%DATADIR%%/basis/reference_unedited/Dyall_5d.dz
+%%DATADIR%%/basis/reference_unedited/Dyall_5d.qz
+%%DATADIR%%/basis/reference_unedited/Dyall_5d.tz
+%%DATADIR%%/basis/reference_unedited/Dyall_6p.qz
+%%DATADIR%%/basis/reference_unedited/Faegri.dz
+%%DATADIR%%/basis/reference_unedited/fetch_archives.sh
+%%DATADIR%%/basis/ucc-pVQZ-DK3
+%%DATADIR%%/basis/ucc-pVTZ-DK3
+%%DATADIR%%/basis_dalton/3-21++G
+%%DATADIR%%/basis_dalton/3-21++G-star
+%%DATADIR%%/basis_dalton/3-21G
+%%DATADIR%%/basis_dalton/3-21G-star
+%%DATADIR%%/basis_dalton/4-31G
+%%DATADIR%%/basis_dalton/6-31++G
+%%DATADIR%%/basis_dalton/6-31++G-star
+%%DATADIR%%/basis_dalton/6-31++G-star-star
+%%DATADIR%%/basis_dalton/6-31+G
+%%DATADIR%%/basis_dalton/6-31+G-star
+%%DATADIR%%/basis_dalton/6-311++G(2d,2p)
+%%DATADIR%%/basis_dalton/6-311++G(3df,3pd)
+%%DATADIR%%/basis_dalton/6-311++G-star-star
+%%DATADIR%%/basis_dalton/6-311+G-star
+%%DATADIR%%/basis_dalton/6-311G
+%%DATADIR%%/basis_dalton/6-311G(2df,2pd)
+%%DATADIR%%/basis_dalton/6-311G-star
+%%DATADIR%%/basis_dalton/6-311G-star-star
+%%DATADIR%%/basis_dalton/6-31G
+%%DATADIR%%/basis_dalton/6-31G(3df,3pd)
+%%DATADIR%%/basis_dalton/6-31G-star
+%%DATADIR%%/basis_dalton/6-31G-star-star
+%%DATADIR%%/basis_dalton/ANO-DK3
+%%DATADIR%%/basis_dalton/ANO-RCC
+%%DATADIR%%/basis_dalton/Ahlrichs-Coulomb-Fit
+%%DATADIR%%/basis_dalton/Ahlrichs-TZV
+%%DATADIR%%/basis_dalton/Ahlrichs-VDZ
+%%DATADIR%%/basis_dalton/Ahlrichs-VTZ
+%%DATADIR%%/basis_dalton/Ahlrichs-pVDZ
+%%DATADIR%%/basis_dalton/Almlof-Taylor-ANO
+%%DATADIR%%/basis_dalton/DZ(Dunning)
+%%DATADIR%%/basis_dalton/DZ+Rydberg(Dunning)
+%%DATADIR%%/basis_dalton/DZP(Dunning)
+%%DATADIR%%/basis_dalton/DZP+Diffuse(Dunning)
+%%DATADIR%%/basis_dalton/DZP+Rydberg(Dunning)
+%%DATADIR%%/basis_dalton/GAMESS-PVTZ
+%%DATADIR%%/basis_dalton/GAMESS-VTZ
+%%DATADIR%%/basis_dalton/Huckel
+%%DATADIR%%/basis_dalton/Huz-II
+%%DATADIR%%/basis_dalton/Huz-III
+%%DATADIR%%/basis_dalton/Huz-IIIsu3
+%%DATADIR%%/basis_dalton/Huz-IIsu2
+%%DATADIR%%/basis_dalton/Huz-IV
+%%DATADIR%%/basis_dalton/Huz-IVsu4
+%%DATADIR%%/basis_dalton/MINI(Huzinaga)
+%%DATADIR%%/basis_dalton/MINI(Scaled)
+%%DATADIR%%/basis_dalton/McLean-Chandler-VTZ
+%%DATADIR%%/basis_dalton/NASA-Ames-ANO
+%%DATADIR%%/basis_dalton/NQvD
+%%DATADIR%%/basis_dalton/SARC-DKH
+%%DATADIR%%/basis_dalton/STO-2G
+%%DATADIR%%/basis_dalton/STO-3G
+%%DATADIR%%/basis_dalton/STO-6G
+%%DATADIR%%/basis_dalton/SV(Dunning-Hay)
+%%DATADIR%%/basis_dalton/SV+DoubleRydberg(Dunning-Hay)
+%%DATADIR%%/basis_dalton/SV+Rydberg(Dunning-Hay)
+%%DATADIR%%/basis_dalton/SVP(Dunning-Hay)
+%%DATADIR%%/basis_dalton/SVP+Diffuse(Dunning-Hay)
+%%DATADIR%%/basis_dalton/Sadlej-pVTZ
+%%DATADIR%%/basis_dalton/Sadlej-pVTZ-J
+%%DATADIR%%/basis_dalton/TZ(Dunning)
+%%DATADIR%%/basis_dalton/TZVPP-MP2-fit
+%%DATADIR%%/basis_dalton/Turbomole-DZ
+%%DATADIR%%/basis_dalton/Turbomole-DZP
+%%DATADIR%%/basis_dalton/Turbomole-Jfit-Xe
+%%DATADIR%%/basis_dalton/Turbomole-QZV
+%%DATADIR%%/basis_dalton/Turbomole-QZVP
+%%DATADIR%%/basis_dalton/Turbomole-QZVPP
+%%DATADIR%%/basis_dalton/Turbomole-SV
+%%DATADIR%%/basis_dalton/Turbomole-SVP
+%%DATADIR%%/basis_dalton/Turbomole-TZ
+%%DATADIR%%/basis_dalton/Turbomole-TZP
+%%DATADIR%%/basis_dalton/Turbomole-TZV
+%%DATADIR%%/basis_dalton/Turbomole-TZV2P
+%%DATADIR%%/basis_dalton/Turbomole-TZVP
+%%DATADIR%%/basis_dalton/Turbomole-TZVPP
+%%DATADIR%%/basis_dalton/Turbomole-TZVPPP
+%%DATADIR%%/basis_dalton/Wachtersa+f
+%%DATADIR%%/basis_dalton/ano-1
+%%DATADIR%%/basis_dalton/ano-2
+%%DATADIR%%/basis_dalton/ano-3
+%%DATADIR%%/basis_dalton/ano-4
+%%DATADIR%%/basis_dalton/apc-0
+%%DATADIR%%/basis_dalton/apc-1
+%%DATADIR%%/basis_dalton/apc-2
+%%DATADIR%%/basis_dalton/apc-3
+%%DATADIR%%/basis_dalton/apc-4
+%%DATADIR%%/basis_dalton/aug-cc-pCV5Z
+%%DATADIR%%/basis_dalton/aug-cc-pCVDZ
+%%DATADIR%%/basis_dalton/aug-cc-pCVQZ
+%%DATADIR%%/basis_dalton/aug-cc-pCVTZ
+%%DATADIR%%/basis_dalton/aug-cc-pCVTZ-CTOCD-uc
+%%DATADIR%%/basis_dalton/aug-cc-pV(5+d)Z
+%%DATADIR%%/basis_dalton/aug-cc-pV(6+d)Z
+%%DATADIR%%/basis_dalton/aug-cc-pV(D+d)Z
+%%DATADIR%%/basis_dalton/aug-cc-pV(Q+d)Z
+%%DATADIR%%/basis_dalton/aug-cc-pV(T+d)Z
+%%DATADIR%%/basis_dalton/aug-cc-pV5Z
+%%DATADIR%%/basis_dalton/aug-cc-pV5Z-DK
+%%DATADIR%%/basis_dalton/aug-cc-pV5Z-MP2-fit
+%%DATADIR%%/basis_dalton/aug-cc-pV6Z
+%%DATADIR%%/basis_dalton/aug-cc-pV6Z-MP2-fit
+%%DATADIR%%/basis_dalton/aug-cc-pVDZ
+%%DATADIR%%/basis_dalton/aug-cc-pVDZ-DK
+%%DATADIR%%/basis_dalton/aug-cc-pVDZ-MP2-fit
+%%DATADIR%%/basis_dalton/aug-cc-pVQZ
+%%DATADIR%%/basis_dalton/aug-cc-pVQZ-DK
+%%DATADIR%%/basis_dalton/aug-cc-pVQZ-MP2-fit
+%%DATADIR%%/basis_dalton/aug-cc-pVTZ
+%%DATADIR%%/basis_dalton/aug-cc-pVTZ-DK
+%%DATADIR%%/basis_dalton/aug-cc-pVTZ-J
+%%DATADIR%%/basis_dalton/aug-cc-pVTZ-MP2-fit
+%%DATADIR%%/basis_dalton/aug-pV7Z
+%%DATADIR%%/basis_dalton/aug-pc-0_emsl
+%%DATADIR%%/basis_dalton/aug-pc-1_emsl
+%%DATADIR%%/basis_dalton/aug-pc-2_emsl
+%%DATADIR%%/basis_dalton/aug-pc-3_emsl
+%%DATADIR%%/basis_dalton/aug-pc-4_emsl
+%%DATADIR%%/basis_dalton/aug-pcseg-0
+%%DATADIR%%/basis_dalton/aug-pcseg-1
+%%DATADIR%%/basis_dalton/aug-pcseg-2
+%%DATADIR%%/basis_dalton/aug-pcseg-3
+%%DATADIR%%/basis_dalton/aug-pcseg-4
+%%DATADIR%%/basis_dalton/cc-pCV5Z
+%%DATADIR%%/basis_dalton/cc-pCVDZ
+%%DATADIR%%/basis_dalton/cc-pCVQZ
+%%DATADIR%%/basis_dalton/cc-pCVTZ
+%%DATADIR%%/basis_dalton/cc-pV(5+d)Z
+%%DATADIR%%/basis_dalton/cc-pV(6+d)Z
+%%DATADIR%%/basis_dalton/cc-pV(D+d)Z
+%%DATADIR%%/basis_dalton/cc-pV(Q+d)Z
+%%DATADIR%%/basis_dalton/cc-pV(T+d)Z
+%%DATADIR%%/basis_dalton/cc-pV5Z
+%%DATADIR%%/basis_dalton/cc-pV5Z-DK
+%%DATADIR%%/basis_dalton/cc-pV5Z-MP2-fit
+%%DATADIR%%/basis_dalton/cc-pV5Zdenfit
+%%DATADIR%%/basis_dalton/cc-pV6Z
+%%DATADIR%%/basis_dalton/cc-pV6Z-MP2-fit
+%%DATADIR%%/basis_dalton/cc-pVDZ
+%%DATADIR%%/basis_dalton/cc-pVDZ-DK
+%%DATADIR%%/basis_dalton/cc-pVDZ-DK3
+%%DATADIR%%/basis_dalton/cc-pVDZ-MP2-fit
+%%DATADIR%%/basis_dalton/cc-pVQZ
+%%DATADIR%%/basis_dalton/cc-pVQZ-DK
+%%DATADIR%%/basis_dalton/cc-pVQZ-DK3
+%%DATADIR%%/basis_dalton/cc-pVQZ-MP2-fit
+%%DATADIR%%/basis_dalton/cc-pVQZdenfit
+%%DATADIR%%/basis_dalton/cc-pVTZ
+%%DATADIR%%/basis_dalton/cc-pVTZ-DK
+%%DATADIR%%/basis_dalton/cc-pVTZ-DK3
+%%DATADIR%%/basis_dalton/cc-pVTZ-MP2-fit
+%%DATADIR%%/basis_dalton/cc-pVTZdenfit
+%%DATADIR%%/basis_dalton/cc-pwCV5Z
+%%DATADIR%%/basis_dalton/cc-pwCV5Z-DK
+%%DATADIR%%/basis_dalton/cc-pwCVDZ
+%%DATADIR%%/basis_dalton/cc-pwCVQZ
+%%DATADIR%%/basis_dalton/cc-pwCVQZ-DK
+%%DATADIR%%/basis_dalton/cc-pwCVTZ
+%%DATADIR%%/basis_dalton/cc-pwCVTZ-DK
+%%DATADIR%%/basis_dalton/def2_qzvp
+%%DATADIR%%/basis_dalton/def2_sv_p
+%%DATADIR%%/basis_dalton/def2_svp
+%%DATADIR%%/basis_dalton/def2_tzvp
+%%DATADIR%%/basis_dalton/ecp-sdd-DZ
+%%DATADIR%%/basis_dalton/ecp-sdd-pseudo
+%%DATADIR%%/basis_dalton/pV6Z
+%%DATADIR%%/basis_dalton/pV7Z
+%%DATADIR%%/basis_dalton/pc-0
+%%DATADIR%%/basis_dalton/pc-0_emsl
+%%DATADIR%%/basis_dalton/pc-1
+%%DATADIR%%/basis_dalton/pc-1_emsl
+%%DATADIR%%/basis_dalton/pc-2
+%%DATADIR%%/basis_dalton/pc-2_emsl
+%%DATADIR%%/basis_dalton/pc-3
+%%DATADIR%%/basis_dalton/pc-3_emsl
+%%DATADIR%%/basis_dalton/pc-4
+%%DATADIR%%/basis_dalton/pc-4_emsl
+%%DATADIR%%/basis_dalton/pcS-0
+%%DATADIR%%/basis_dalton/pcS-1
+%%DATADIR%%/basis_dalton/pcS-2
+%%DATADIR%%/basis_dalton/pcS-3
+%%DATADIR%%/basis_dalton/pcS-4
+%%DATADIR%%/basis_dalton/pcseg-0
+%%DATADIR%%/basis_dalton/pcseg-1
+%%DATADIR%%/basis_dalton/pcseg-2
+%%DATADIR%%/basis_dalton/pcseg-3
+%%DATADIR%%/basis_dalton/pcseg-4
+%%DATADIR%%/basis_dalton/raf-r
+%%DATADIR%%/basis_ecp/ECPCE10SF
+%%DATADIR%%/basis_ecp/ECPCE10SO
+%%DATADIR%%/basis_ecp/ECPCE18SF
+%%DATADIR%%/basis_ecp/ECPCE18SO
+%%DATADIR%%/basis_ecp/ECPCE28SF
+%%DATADIR%%/basis_ecp/ECPCE28SO
+%%DATADIR%%/basis_ecp/ECPCE2SF
+%%DATADIR%%/basis_ecp/ECPCE2SO
+%%DATADIR%%/basis_ecp/ECPCE36SF
+%%DATADIR%%/basis_ecp/ECPCE36SO
+%%DATADIR%%/basis_ecp/ECPCE46SF
+%%DATADIR%%/basis_ecp/ECPCE46SO
+%%DATADIR%%/basis_ecp/ECPCE46_TZ
+%%DATADIR%%/basis_ecp/ECPCE60SF
+%%DATADIR%%/basis_ecp/ECPCE60SO
+%%DATADIR%%/basis_ecp/ECPCE68SF
+%%DATADIR%%/basis_ecp/ECPCE68SO
+%%DATADIR%%/basis_ecp/ECPDS10MDFSF
+%%DATADIR%%/basis_ecp/ECPDS10MDFSO
+%%DATADIR%%/basis_ecp/ECPDS10MHFSF
+%%DATADIR%%/basis_ecp/ECPDS10MWBSF
+%%DATADIR%%/basis_ecp/ECPDS10SDFSF
+%%DATADIR%%/basis_ecp/ECPDS18MHFSF
+%%DATADIR%%/basis_ecp/ECPDS18MWBSF
+%%DATADIR%%/basis_ecp/ECPDS18SDFSF
+%%DATADIR%%/basis_ecp/ECPDS18SHFSF
+%%DATADIR%%/basis_ecp/ECPDS28MDFSF
+%%DATADIR%%/basis_ecp/ECPDS28MDFSO
+%%DATADIR%%/basis_ecp/ECPDS28MHFSF
+%%DATADIR%%/basis_ecp/ECPDS28MWBSF
+%%DATADIR%%/basis_ecp/ECPDS28MWBSO
+%%DATADIR%%/basis_ecp/ECPDS28SDFSF
+%%DATADIR%%/basis_ecp/ECPDS28SHFSF
+%%DATADIR%%/basis_ecp/ECPDS2MHFSF
+%%DATADIR%%/basis_ecp/ECPDS2MWBSF
+%%DATADIR%%/basis_ecp/ECPDS2SDFSF
+%%DATADIR%%/basis_ecp/ECPDS36MWBSF
+%%DATADIR%%/basis_ecp/ECPDS36SDFSF
+%%DATADIR%%/basis_ecp/ECPDS36SHFSF
+%%DATADIR%%/basis_ecp/ECPDS46MDFSF
+%%DATADIR%%/basis_ecp/ECPDS46MDFSO
+%%DATADIR%%/basis_ecp/ECPDS46MHFSF
+%%DATADIR%%/basis_ecp/ECPDS46MWBSF
+%%DATADIR%%/basis_ecp/ECPDS46SDFSF
+%%DATADIR%%/basis_ecp/ECPDS46SHFSF
+%%DATADIR%%/basis_ecp/ECPDS47MHFSF
+%%DATADIR%%/basis_ecp/ECPDS47MWBSF
+%%DATADIR%%/basis_ecp/ECPDS48MHFSF
+%%DATADIR%%/basis_ecp/ECPDS48MWBSF
+%%DATADIR%%/basis_ecp/ECPDS49MHFSF
+%%DATADIR%%/basis_ecp/ECPDS49MWBSF
+%%DATADIR%%/basis_ecp/ECPDS50MHFSF
+%%DATADIR%%/basis_ecp/ECPDS50MWBSF
+%%DATADIR%%/basis_ecp/ECPDS51MHFSF
+%%DATADIR%%/basis_ecp/ECPDS51MWBSF
+%%DATADIR%%/basis_ecp/ECPDS52MHFSF
+%%DATADIR%%/basis_ecp/ECPDS52MWBSF
+%%DATADIR%%/basis_ecp/ECPDS53MHFSF
+%%DATADIR%%/basis_ecp/ECPDS53MWBSF
+%%DATADIR%%/basis_ecp/ECPDS54MHFSF
+%%DATADIR%%/basis_ecp/ECPDS54MWBSF
+%%DATADIR%%/basis_ecp/ECPDS54SDFSF
+%%DATADIR%%/basis_ecp/ECPDS54SHFSF
+%%DATADIR%%/basis_ecp/ECPDS55MHFSF
+%%DATADIR%%/basis_ecp/ECPDS55MWBSF
+%%DATADIR%%/basis_ecp/ECPDS56MHFSF
+%%DATADIR%%/basis_ecp/ECPDS56MWBSF
+%%DATADIR%%/basis_ecp/ECPDS57MHFSF
+%%DATADIR%%/basis_ecp/ECPDS57MWBSF
+%%DATADIR%%/basis_ecp/ECPDS58MHFSF
+%%DATADIR%%/basis_ecp/ECPDS58MWBSF
+%%DATADIR%%/basis_ecp/ECPDS59MHFSF
+%%DATADIR%%/basis_ecp/ECPDS59MWBSF
+%%DATADIR%%/basis_ecp/ECPDS60MDFSF
+%%DATADIR%%/basis_ecp/ECPDS60MDFSO
+%%DATADIR%%/basis_ecp/ECPDS60MHFSF
+%%DATADIR%%/basis_ecp/ECPDS60MWBSF
+%%DATADIR%%/basis_ecp/ECPDS60MWBSO
+%%DATADIR%%/basis_ecp/ECPDS68MDFSF
+%%DATADIR%%/basis_ecp/ECPDS68MWBSF
+%%DATADIR%%/basis_ecp/ECPDS78MDFSF
+%%DATADIR%%/basis_ecp/ECPDS78MDFSO
+%%DATADIR%%/basis_ecp/ECPDS78MHFSF
+%%DATADIR%%/basis_ecp/ECPDS78MWBSF
+%%DATADIR%%/basis_ecp/ECPDS78SDFSF
+%%DATADIR%%/basis_ecp/ECPDS78SHFSF
+%%DATADIR%%/basis_ecp/ECPDS79MWBSF
+%%DATADIR%%/basis_ecp/ECPDS80MWBSF
+%%DATADIR%%/basis_ecp/ECPDS81MWBSF
+%%DATADIR%%/basis_ecp/ECPDS82MWBSF
+%%DATADIR%%/basis_ecp/ECPDS83MWBSF
+%%DATADIR%%/basis_ecp/ECPDS84MWBSF
+%%DATADIR%%/basis_ecp/ECPDS85MWBSF
+%%DATADIR%%/basis_ecp/ECPDS86MWBSF
+%%DATADIR%%/basis_ecp/ECPDS87MWBSF
+%%DATADIR%%/basis_ecp/ECPDS88MWBSF
+%%DATADIR%%/basis_ecp/ECPDS89MWBSF
+%%DATADIR%%/basis_ecp/ECPDS90MWBSF
+%%DATADIR%%/basis_ecp/ECPDS91MWBSF
+%%DATADIR%%/basis_ecp/ECPDS92MDFBQSF
+%%DATADIR%%/basis_ecp/ECPDS92MDFBQSO
+%%DATADIR%%/basis_ecp/ECPDS92MDFBQ_QZVP
+%%DATADIR%%/basis_ecp/ECPDS92MDFBSF
+%%DATADIR%%/basis_ecp/ECPDS92MDFBSO
+%%DATADIR%%/basis_ecp/ECPDS92MDFB_QZVP
+%%DATADIR%%/basis_ecp/ECPDS92MDFSF
+%%DATADIR%%/basis_ecp/ECPDS92MHFSF
+%%DATADIR%%/basis_ecp/ECPDS92MWBSF
+%%DATADIR%%/basis_ecp/ECPHW10SF
+%%DATADIR%%/basis_ecp/ECPHW18SF
+%%DATADIR%%/basis_ecp/ECPHW28SF
+%%DATADIR%%/basis_ecp/ECPHW36SF
+%%DATADIR%%/basis_ecp/ECPHW46SF
+%%DATADIR%%/basis_ecp/ECPHW54SF
+%%DATADIR%%/basis_ecp/ECPHW60SF
+%%DATADIR%%/basis_ecp/ECPHW68SF
+%%DATADIR%%/basis_ecp/ECPHW78SF
+%%DATADIR%%/basis_ecp/ECPSB10SF
+%%DATADIR%%/basis_ecp/ECPSB2SF
+%%DATADIR%%/cf_addlabels.x
+%%DATADIR%%/cfread.x
+%%DATADIR%%/diag.x
+%%DATADIR%%/dirac.x
+%%DATADIR%%/dirac_data.py
+%%DATADIR%%/dirac_mointegral_export.x
+%%DATADIR%%/labread.x
+%%DATADIR%%/mx2fit.x
+%%DATADIR%%/pam
+%%DATADIR%%/pcmo_addlabels.x
+%%DATADIR%%/polfit.x
+%%DATADIR%%/process_schema.py
+%%DATADIR%%/rspread.x
+%%DATADIR%%/test_allocator.x
+%%DATADIR%%/twofit.x
+%%DATADIR%%/vibcal.x