git: c8a9968da25a - main - science/py-atomium: New port: Molecular modeller and file parser

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=c8a9968da25a57597a29511b65cc66f78b212096

commit c8a9968da25a57597a29511b65cc66f78b212096
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-10-04 04:05:49 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-10-04 04:06:22 +0000

    science/py-atomium: New port: Molecular modeller and file parser
---
 science/Makefile             |  1 +
 science/py-atomium/Makefile  | 33 +++++++++++++++++++++++++++++++++
 science/py-atomium/distinfo  |  3 +++
 science/py-atomium/pkg-descr |  2 ++
 4 files changed, 39 insertions(+)

diff --git a/science/Makefile b/science/Makefile
index a05b9a0a20e2..ac5de659d887 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -277,6 +277,7 @@
     SUBDIR += py-asdf-standard
     SUBDIR += py-asdf-transform-schemas
     SUBDIR += py-ase
+    SUBDIR += py-atomium
     SUBDIR += py-avogadrolibs
     SUBDIR += py-cdo
     SUBDIR += py-chainer
diff --git a/science/py-atomium/Makefile b/science/py-atomium/Makefile
new file mode 100644
index 000000000000..8917627c227a
--- /dev/null
+++ b/science/py-atomium/Makefile
@@ -0,0 +1,33 @@
+PORTNAME=	atomium
+DISTVERSIONPREFIX=	v
+DISTVERSION=	1.0.11
+CATEGORIES=	science biology python
+PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	Molecular modeller and file parser
+WWW=		https://atomium.bio/
+
+LICENSE=	MIT
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+PY_DEPENDS=	${PYTHON_PKGNAMEPREFIX}coveralls>0:devel/py-coveralls@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}msgpack>=0.6.1:devel/py-msgpack@${PY_FLAVOR} \
+		${PYNUMPY} \
+		${PYTHON_PKGNAMEPREFIX}paramiko>0:security/py-paramiko@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}requests>0:www/py-requests@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}rmsd>0:science/py-rmsd@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}sphinx>0:textproc/py-sphinx@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}sphinx_rtd_theme>0:textproc/py-sphinx_rtd_theme@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}tqdm>0:misc/py-tqdm@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}valerius>=0.2:biology/py-valerius@${PY_FLAVOR}
+BUILD_DEPENDS=	${PY_DEPENDS}
+RUN_DEPENDS=	${PY_DEPENDS}
+
+USES=		python
+USE_PYTHON=	distutils autoplist pytest
+
+USE_GITHUB=	yes
+GH_ACCOUNT=	samirelanduk
+
+.include <bsd.port.mk>
diff --git a/science/py-atomium/distinfo b/science/py-atomium/distinfo
new file mode 100644
index 000000000000..913297e6bd91
--- /dev/null
+++ b/science/py-atomium/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1664851734
+SHA256 (samirelanduk-atomium-v1.0.11_GH0.tar.gz) = f26fec07ab7777032e2f829e4338021543f5ccbd76f59dc47c12decc9b1ebe88
+SIZE (samirelanduk-atomium-v1.0.11_GH0.tar.gz) = 21454532
diff --git a/science/py-atomium/pkg-descr b/science/py-atomium/pkg-descr
new file mode 100644
index 000000000000..2be0d2ab7bd1
--- /dev/null
+++ b/science/py-atomium/pkg-descr
@@ -0,0 +1,2 @@
+atomium is a molecular modeller and file parser, capable of reading from and
+writing to .pdb, .cif and .mmtf files.