diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2022-10-04 04:05:49 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2022-10-04 04:06:22 +0000 |
| commit | c8a9968da25a57597a29511b65cc66f78b212096 (patch) | |
| tree | 8a17907c1e877be3ced7d27d91d9a87922a21dbe | |
| parent | f83007151dea80e9f9cf09909f95ff4ea1cbab36 (diff) | |
science/py-atomium: New port: Molecular modeller and file parser
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-atomium/Makefile | 33 | ||||
| -rw-r--r-- | science/py-atomium/distinfo | 3 | ||||
| -rw-r--r-- | science/py-atomium/pkg-descr | 2 |
4 files changed, 39 insertions, 0 deletions
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. |