git: 9a53618eaaf6 - main - science/chemicalfun: Update g20220104 -> 0.1.3
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Date: Sun, 17 Jul 2022 20:04:14 UTC
The branch main has been updated by yuri:
URL: https://cgit.FreeBSD.org/ports/commit/?id=9a53618eaaf684f697a85a81090acb6d713eb16e
commit 9a53618eaaf684f697a85a81090acb6d713eb16e
Author: Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-07-17 19:44:52 +0000
Commit: Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-07-17 20:04:09 +0000
science/chemicalfun: Update g20220104 -> 0.1.3
---
science/chemicalfun/Makefile | 35 ++++++++++++++++++----
science/chemicalfun/distinfo | 6 ++--
.../files/patch-python_chemicalfun_CMakeLists.txt | 11 +++++++
science/chemicalfun/files/test.py | 15 ++++++++++
science/chemicalfun/pkg-plist | 4 +++
5 files changed, 63 insertions(+), 8 deletions(-)
diff --git a/science/chemicalfun/Makefile b/science/chemicalfun/Makefile
index 82cf71740a37..c1735a1cde79 100644
--- a/science/chemicalfun/Makefile
+++ b/science/chemicalfun/Makefile
@@ -1,5 +1,5 @@
PORTNAME= chemicalfun
-DISTVERSION= g20220104
+DISTVERSION= 0.1.3
CATEGORIES= science # chemistry
MASTER_SITES= https://bitbucket.org/${BB_ACCOUNT}/${PORTNAME}/get/${BB_COMMIT}${EXTRACT_SUFX}?dummy=/:src
DISTFILES= ${PORTNAME}-${DISTVERSION}${EXTRACT_SUFX}:src
@@ -7,16 +7,41 @@ DISTFILES= ${PORTNAME}-${DISTVERSION}${EXTRACT_SUFX}:src
MAINTAINER= yuri@FreeBSD.org
COMMENT= C++ library for working with chemical reactions and formulas
-BUILD_DEPENDS= nlohmann-json>0:devel/nlohmann-json
+BUILD_DEPENDS= nlohmann-json>0:devel/nlohmann-json \
+ spdlog>0:devel/spdlog
+LIB_DEPENDS= libfmt.so:devel/libfmt # due to SPDLOG_FMT_EXTERNAL
-USES= cmake:testing eigen:3
+USES= cmake:testing compiler:c++17-lang eigen:3 localbase
BB_ACCOUNT= gems4
-BB_COMMIT= dd673f906517
+BB_COMMIT= 0e0edc84688c
WRKSRC= ${WRKDIR}/${BB_ACCOUNT}-${PORTNAME}-${BB_COMMIT}
-CMAKE_OFF= CHEMICALFUN_BUILD_PYTHON
CMAKE_TESTING_ON= CHEMICALFUN_BUILD_TESTS # tests fail to compile, BitBucket offers no easy way to report this
+CMAKE_TESTING_TARGET= ${ALL_TARGET} # hack to prevent test run
+
+CXXFLAGS+= -DSPDLOG_FMT_EXTERNAL # see https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=258073#c3
+LDFLAGS+= -L${LOCALBASE}/lib -lfmt # due to SPDLOG_FMT_EXTERNAL
+
+OPTIONS_DEFINE= PYTHON
+OPTIONS_DEFAULT= PYTHON
+OPTIONS_SUB= yes
+
+PYTHON_USES= python
+PYTHON_CMAKE_BOOL= CHEMICALFUN_BUILD_PYTHON
+PYTHON_CMAKE_ON= -DFREEBSD_STAGEDIR=${STAGEDIR}
+PYTHON_BUILD_DEPENDS= pybind11>0:devel/pybind11
+
+post-install-PYTHON-on:
+ @${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/chemicalfun/PyChemicalFun${PYTHON_EXT_SUFFIX}.so
+
+post-test:
+ @${ECHO} "==> run C++ tests"
+ @cd ${TEST_WRKSRC} && ${SETENV} ${TEST_ENV} tests/test_main
+
+post-test-PYTHON-on:
+ @${ECHO} "==> run Python tests"
+ @cd ${TEST_WRKSRC} && ${SETENV} ${TEST_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} ${PYTHON_CMD} ${FILESDIR}/test.py
.include <bsd.port.mk>
diff --git a/science/chemicalfun/distinfo b/science/chemicalfun/distinfo
index 00b9fb8a00e8..3f99e7f4d4e8 100644
--- a/science/chemicalfun/distinfo
+++ b/science/chemicalfun/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1642530020
-SHA256 (chemicalfun-g20220104.tar.gz) = 2944e24ceda906511f7837ae29298d10aee47a0a9440f6955ff4be39899233c8
-SIZE (chemicalfun-g20220104.tar.gz) = 931249
+TIMESTAMP = 1658079527
+SHA256 (chemicalfun-0.1.3.tar.gz) = ad6cbd46bb75fe5811f4fcae7966d7717bf30f4f0f4749783e09a9f53780e6e6
+SIZE (chemicalfun-0.1.3.tar.gz) = 933523
diff --git a/science/chemicalfun/files/patch-python_chemicalfun_CMakeLists.txt b/science/chemicalfun/files/patch-python_chemicalfun_CMakeLists.txt
new file mode 100644
index 000000000000..1153bd6914ff
--- /dev/null
+++ b/science/chemicalfun/files/patch-python_chemicalfun_CMakeLists.txt
@@ -0,0 +1,11 @@
+--- python/chemicalfun/CMakeLists.txt.orig 2022-07-17 18:29:23 UTC
++++ python/chemicalfun/CMakeLists.txt
+@@ -43,7 +43,7 @@ install(CODE
+ endif()
+
+ execute_process(
+- COMMAND ${PYTHON_EXECUTABLE} ${SETUP_PY} install --prefix=\${CHEMICALFUN_PYTHON_INSTALL_PREFIX_NATIVE}
++ COMMAND ${PYTHON_EXECUTABLE} ${SETUP_PY} install --root=${FREEBSD_STAGEDIR} --prefix=\${CHEMICALFUN_PYTHON_INSTALL_PREFIX_NATIVE}
+ WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
+ "
+ )
diff --git a/science/chemicalfun/files/test.py b/science/chemicalfun/files/test.py
new file mode 100644
index 000000000000..b9e1b5abc8b1
--- /dev/null
+++ b/science/chemicalfun/files/test.py
@@ -0,0 +1,15 @@
+# test from README
+
+import chemicalfun as cf
+
+formulas = ['Ca+2', 'CO3-2', 'H+', 'OH-', 'HCO3-', 'CaCO3', 'H2O']
+
+chemicalReactions = cf.ChemicalReactions(formulas)
+
+reactions = chemicalReactions.generateReactions() # returns the reactions list as a list of tuples ('substance', coefficient)
+
+# can be transformed to a list of dictionaries, with reaction substances as keys and the reaction coefficients as values
+reactions_dic = [{el[0]: el[1] for el in r} for r in reactions]
+
+print(chemicalReactions.printReactions())
+print(reactions_dic)
diff --git a/science/chemicalfun/pkg-plist b/science/chemicalfun/pkg-plist
index 9423b34945f4..62c64e17f309 100644
--- a/science/chemicalfun/pkg-plist
+++ b/science/chemicalfun/pkg-plist
@@ -13,3 +13,7 @@ lib/cmake/ChemicalFun/ChemicalFunConfigVersion.cmake
lib/cmake/ChemicalFun/ChemicalFunTargets-%%CMAKE_BUILD_TYPE%%.cmake
lib/cmake/ChemicalFun/ChemicalFunTargets.cmake
lib/libChemicalFun.so
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/chemicalfun/PyChemicalFun%%PYTHON_EXT_SUFFIX%%.so
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/chemicalfun/__init__.py
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/chemicalfun/__pycache__/__init__%%PYTHON_EXT_SUFFIX%%.pyc
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/chemicalfun-0.1.3-py%%PYTHON_VER%%.egg-info